Cas no 95162-14-4 (4-Bromo-1-trityl-1H-pyrazole)

4-Bromo-1-trityl-1H-pyrazole structure
4-Bromo-1-trityl-1H-pyrazole structure
Product Name:4-Bromo-1-trityl-1H-pyrazole
CAS No:95162-14-4
MF:C22H17BrN2
MW:389.287784337997
MDL:MFCD09907863
CID:799235
PubChem ID:10834188
Update Time:2024-10-25

4-Bromo-1-trityl-1H-pyrazole Chemical and Physical Properties

Names and Identifiers

    • 4-Bromo-1-trityl-1H-pyrazole
    • 4-Bromo-1-tritylpyrazole
    • 1H-Pyrazole,4-bromo-1-(triphenylmethyl)-
    • 4-Bromo-1-trityl-1H-pyraziole
    • 4-bromo-1-(triphenylmethyl)-1H-pyrazole
    • 1H-Pyrazole, 4-bromo-1-(triphenylmethyl)-
    • N-trityl-4-bromopyrazole
    • 4-bromo-1-N-tritylpyrazole
    • 1-Trityl-4-bromo-1H-pyrazole
    • 4-bromo-1-trityl-1-H-pyrazole
    • CPENTLJGGGSVAJ-UHFFFAOYSA-N
    • RB3227
    • 6345AC
    • TRA0007730
    • AM62736
    • SC-
    • 4-Bromo-1-(triphenylmethyl)-1H-pyrazole (ACI)
    • Pyrazole, 4-bromo-1-trityl- (7CI)
    • 4-Bromo-1-triphenylmethyl-1H-pyrazole
    • 95162-14-4
    • SCHEMBL511015
    • CHEMBL4919985
    • 4-BROMO-1-(TRIPHENYLMETHYL)PYRAZOLE
    • AKOS016002521
    • VDA16214
    • SY023837
    • AS-9018
    • DTXSID90445567
    • MFCD09907863
    • MDL: MFCD09907863
    • Inchi: 1S/C22H17BrN2/c23-21-16-24-25(17-21)22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H
    • InChI Key: CPENTLJGGGSVAJ-UHFFFAOYSA-N
    • SMILES: BrC1=CN(C(C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)N=C1

Computed Properties

  • Exact Mass: 388.05800
  • Monoisotopic Mass: 388.05751g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 4
  • Complexity: 363
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 17.8
  • XLogP3: 5.7

Experimental Properties

  • Density: 1.27±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: 186-188 oC (hexane )
  • Solubility: Insuluble (7.4E-4 g/L) (25 oC),
  • PSA: 17.82000
  • LogP: 5.48580

4-Bromo-1-trityl-1H-pyrazole Security Information

4-Bromo-1-trityl-1H-pyrazole Customs Data

  • HS CODE:2933199090
  • Customs Data:

    China Customs Code:

    2933199090

    Overview:

    2933199090. Other structurally non fused pyrazole ring compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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4-Bromo-1-trityl-1H-pyrazole Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sodium hydride Solvents: Tetrahydrofuran ,  Water ;  0 °C; overnight, rt
1.2 Reagents: Water ;  rt
Reference
Efficient and chromatography-free methodology for the modular synthesis of oligo-(1H-pyrazol-4-yl)-arenes with controllable size, shape and steric bulk
Kershaw Cook, Laurence J.; Kearsey, Rachel; Lamb, Jessica V.; Pace, Edward J.; Gould, Jamie A., Tetrahedron Letters, 2016, 57(8), 895-898

Production Method 2

Reaction Conditions
1.1 Reagents: Triethylamine Solvents: Ethanol ;  1 h, rt
1.2 Reagents: Water ;  rt
Reference
Synthesis of 4-aryl-1H-pyrazoles by Suzuki-Miyaura cross coupling reaction between 4-bromo-1H-1-tritylpyrazole and arylboronic acids
Ichikawa, Hayato; Nishioka, Miho; Arimoto, Masao; Usami, Yoshihide, Heterocycles, 2010, 81(6), 1509-1516

Production Method 3

Reaction Conditions
1.1 Reagents: tert-Butyl peroxybenzoate Catalysts: (OC-6-22)-Tris[5-fluoro-2-(2-pyridinyl-κN)phenyl-κC]iridium Solvents: 1,2-Dichloroethane ;  24 h, rt
Reference
Azolation of Benzylic C-H Bonds via Photoredox-Catalyzed Carbocation Generation
Das, Mrinmoy; Zamani, Leila; Bratcher, Christopher; Musacchio, Patricia Z., Journal of the American Chemical Society, 2023, 145(7), 3861-3868

Production Method 4

Reaction Conditions
1.1 Reagents: Triethylamine Solvents: Diethyl ether ;  3 h, rt
Reference
Scalable 9-Step Synthesis of the Splicing Modulator NVS-SM2
Abou-Hamdan, Hussein; Desaubry, Laurent, Journal of Organic Chemistry, 2018, 83(5), 2954-2958

Production Method 5

Reaction Conditions
1.1 Reagents: Sodium hydride Solvents: Tetrahydrofuran ;  0 °C; 90 min, 0 °C
1.2 36 h, 0 °C
1.3 Reagents: Water
Reference
Solvent-free synthesis of metal-organic frameworks using low-melting metal salts
Azbell, Tyler J.; Pitt, Tristan A.; Bollmeyer, Melissa M.; Cong, Christina; Lancaster, Kyle M.; et al, ChemRxiv, 2022, 1, 1-11

Production Method 6

Reaction Conditions
1.1 Reagents: Sodium hydride Solvents: Tetrahydrofuran ;  1 h, 0 °C
1.2 0 °C; 0 °C → rt; 16 h, rt
1.3 Reagents: Ethanol ;  0 °C
Reference
Synthesis of functionalized 5-(4-arylpiperazin-1-yl)-N-arylpentanamides and their evaluation as D3 receptor ligands
Blass, Benjamin E. ; Chen, Peng-Jen; Gordon, John C., Medicinal Chemistry Research, 2022, 31(5), 735-748

Production Method 7

Reaction Conditions
1.1 Reagents: Pyridine Catalysts: 4-(Dimethylamino)pyridine Solvents: Dichloromethane ;  overnight, rt
Reference
Pyrazole compounds as modulators of MAGL, ABHD6 and FAAH and methods of making and using same
, World Intellectual Property Organization, , ,

Production Method 8

Reaction Conditions
1.1 Reagents: Potassium carbonate Solvents: Dimethylformamide ;  40 h, rt
Reference
Preparation of pyrrole derivatives as androgen receptor antagonists for treatment of cancer
, World Intellectual Property Organization, , ,

Production Method 9

Reaction Conditions
1.1 Reagents: Pyridine Catalysts: 4-(Dimethylamino)pyridine Solvents: Pyridine ;  24 h, 80 °C
Reference
Preparation of substituted phthalazinamines as Aurora kinase modulators
, World Intellectual Property Organization, , ,

Production Method 10

Reaction Conditions
1.1 Reagents: Triethylamine Solvents: Dimethylformamide ;  0 °C; 2 d, rt
Reference
Preparation of N-(mercaptoacyl)phenylalanine derivatives as inhibitors of angiotensin converting enzyme (ACE) and/or neutral endopeptidase (NEP)
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Production Method 11

Reaction Conditions
1.1 Reagents: Sodium hydride Solvents: Tetrahydrofuran ;  15 min, 0 °C; 1 h, 0 °C
1.2 15 min, 0 °C; 0 °C → rt; 24 h, rt
Reference
Evaluating the Robustness of Metal-Organic Frameworks for Synthetic Chemistry
Wang, Zihao; Bilegsaikhan, Arvin; Jerozal, Ronald T.; Pitt, Tristan A.; Milner, Phillip J., ACS Applied Materials & Interfaces, 2021, 13(15), 17517-17531

Production Method 12

Reaction Conditions
1.1 Reagents: Pyridine Catalysts: 4-(Dimethylamino)pyridine Solvents: Dichloromethane ;  16 h, rt
Reference
Preparation of pyrrolopyridines as Tec kinase inhibitors
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Production Method 13

Reaction Conditions
1.1 Reagents: Potassium tert-butoxide Solvents: Dimethylformamide ;  0 °C; 0 °C → rt; 1 h, rt
Reference
Inverse Electron Demand Diels-Alder Reactions of 1,2,3-Triazines: Pronounced Substituent Effects on Reactivity and Cycloaddition Scope
Anderson, Erin D.; Boger, Dale L., Journal of the American Chemical Society, 2011, 133(31), 12285-12292

Production Method 14

Reaction Conditions
1.1 Reagents: Triethylamine Solvents: Dimethylformamide ;  rt; 0 °C; 3 h, 70 °C
Reference
Preparation of pyridine derivatives substituted with heterocycle and phosphonoamino and antifungal agents containing the same
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Production Method 15

Reaction Conditions
1.1 Reagents: Potassium tert-butoxide Solvents: Dimethylformamide ;  0 °C; overnight, rt
Reference
Preparation of aryloxypyridinamines and related compounds as inhibitors of Notch signaling pathway and use thereof in treatment of cancers
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Production Method 16

Reaction Conditions
1.1 Reagents: Potassium tert-butoxide Solvents: Dimethylformamide ;  0 °C; 2 h, 0 °C → rt
Reference
Rhodium/Chiral Diene Complexes in the Catalytic Asymmetric Arylation of β-Pyrazol-1-yl Acrylates
Gopula, Balraj; Tsai, Yun-Fan; Kuo, Ting-Shen; Wu, Ping-Yu; Henschke, Julian P.; et al, Organic Letters, 2015, 17(5), 1142-1145

Production Method 17

Reaction Conditions
1.1 Reagents: Cesium carbonate Solvents: Dimethyl sulfoxide ;  rt; 2 h, 90 °C
Reference
Preparation of hetero-bifunctional pomalidomide derivatives as GSPT1 degraders for treatment of cancers
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Production Method 18

Reaction Conditions
1.1 Reagents: Potassium tert-butoxide Solvents: Dimethylformamide ;  0 °C; 0 °C → rt; 1 h, rt
1.2 Solvents: Water ;  rt
1.3 Reagents: Ammonium chloride Solvents: Water ;  neutralized, rt
Reference
Identification and Profiling of Hydantoins-A Novel Class of Potent Antimycobacterial DprE1 Inhibitors
Rogacki, Maciej K.; Pitta, Eleni; Balabon, Olga; Huss, Sophie; Lopez-Roman, Eva Maria; et al, Journal of Medicinal Chemistry, 2018, 61(24), 11221-11249

Production Method 19

Reaction Conditions
1.1 Reagents: Potassium tert-butoxide Solvents: Dimethylformamide ;  0 °C; 12 h, 28 °C
Reference
Pyrazolyl derivatives as SYK inhibitors and their preparation
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Production Method 20

Reaction Conditions
1.1 Reagents: Sodium hydride Solvents: Tetrahydrofuran ;  1 h, rt; 30 min, 0 °C; 30 min, rt
1.2 20 min, 0 °C; 3 h, rt
1.3 Reagents: Water ;  0 °C
Reference
Antifungal triazole derivatives, processes for preparing them, and pharmaceutical compositions containing them
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4-Bromo-1-trityl-1H-pyrazole Raw materials

4-Bromo-1-trityl-1H-pyrazole Preparation Products

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